[(2,6-difluorophenyl)methyl](1-methoxypropan-2-yl)amine

• ChemBase ID: 310904
• Molecular Formular: C11H15F2NO
• Molecular Mass: 215.2397064
• Monoisotopic Mass: 215.11217055
• SMILES: c1(CNC(COC)C)c(F)cccc1F
• Canonical SMILES: COCC(NCc1c(F)cccc1F)C
• InChI: InChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
• InChIKey: AVAGRZSTJMCDSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,6-difluorophenyl)methyl](1-methoxypropan-2-yl)amine
• IUPAC Traditional name: [(2,6-difluorophenyl)methyl](1-methoxypropan-2-yl)amine
• Synonyms: (2,6-difluorobenzyl)(2-methoxy-1-methylethyl)amine

Database IDs

• CAS Number: 353777-75-0
• MDL Number: MFCD00981042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.07695995
• LogD (pH = 7.4): 1.63495
• Log P: 2.186598
• Molar Refractivity: 55.2011 cm^3
• Polarizability: 21.113613 Å^3
• Polar Surface Area: 21.26 Å^2